BDBM50396794 CHEMBL2170078

SMILES: OP(O)(=O)C(=O)NCCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1

InChI Key: InChIKey=WKUTYURYKGUAPC-UHFFFAOYSA-N

Data: 5 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50396794   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50396794 (CHEMBL2170078) Show SMILES OP(O)(=O)C(=O)NCCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C16H19N2O7PS/c19-16(26(20,21)22)17-11-4-12-18-27(23,24)15-9-7-14(8-10-15)25-13-5-2-1-3-6-13/h1-3,5-10,18H,4,11-12H2,(H,17,19)(H2,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Hebrew University of Jerusalem Curated by ChEMBL					Assay Description Inhibition of human Carbonic anhydrase 12-mediated CO2 hydration by stopped-flow method				J Med Chem 55: 7875-82 (2012) Article DOI: 10.1021/jm300981b BindingDB Entry DOI: 10.7270/Q23T9JBB
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50396794 (CHEMBL2170078) Show SMILES OP(O)(=O)C(=O)NCCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C16H19N2O7PS/c19-16(26(20,21)22)17-11-4-12-18-27(23,24)15-9-7-14(8-10-15)25-13-5-2-1-3-6-13/h1-3,5-10,18H,4,11-12H2,(H,17,19)(H2,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Hebrew University of Jerusalem Curated by ChEMBL					Assay Description Inhibition of human Carbonic anhydrase 9-mediated CO2 hydration by stopped-flow method				J Med Chem 55: 7875-82 (2012) Article DOI: 10.1021/jm300981b BindingDB Entry DOI: 10.7270/Q23T9JBB
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50396794 (CHEMBL2170078) Show SMILES OP(O)(=O)C(=O)NCCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C16H19N2O7PS/c19-16(26(20,21)22)17-11-4-12-18-27(23,24)15-9-7-14(8-10-15)25-13-5-2-1-3-6-13/h1-3,5-10,18H,4,11-12H2,(H,17,19)(H2,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Hebrew University of Jerusalem Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP2 measured every 5 mins for 3 hrs				J Med Chem 55: 7875-82 (2012) Article DOI: 10.1021/jm300981b BindingDB Entry DOI: 10.7270/Q23T9JBB
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50396794 (CHEMBL2170078) Show SMILES OP(O)(=O)C(=O)NCCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C16H19N2O7PS/c19-16(26(20,21)22)17-11-4-12-18-27(23,24)15-9-7-14(8-10-15)25-13-5-2-1-3-6-13/h1-3,5-10,18H,4,11-12H2,(H,17,19)(H2,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	710	n/a	n/a	n/a	n/a	n/a	n/a
The Hebrew University of Jerusalem Curated by ChEMBL					Assay Description Inhibition of human Carbonic anhydrase 1-mediated CO2 hydration by stopped-flow method				J Med Chem 55: 7875-82 (2012) Article DOI: 10.1021/jm300981b BindingDB Entry DOI: 10.7270/Q23T9JBB
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50396794 (CHEMBL2170078) Show SMILES OP(O)(=O)C(=O)NCCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C16H19N2O7PS/c19-16(26(20,21)22)17-11-4-12-18-27(23,24)15-9-7-14(8-10-15)25-13-5-2-1-3-6-13/h1-3,5-10,18H,4,11-12H2,(H,17,19)(H2,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	580	n/a	n/a	n/a	n/a	n/a	n/a
The Hebrew University of Jerusalem Curated by ChEMBL					Assay Description Inhibition of human Carbonic anhydrase 2-mediated CO2 hydration by stopped-flow method				J Med Chem 55: 7875-82 (2012) Article DOI: 10.1021/jm300981b BindingDB Entry DOI: 10.7270/Q23T9JBB
					More data for this Ligand-Target Pair